Synthesis, structural characterization, thermal analysis, DFT, biocidal evaluation and molecular docking studies of amide-based Co(II) complexes

Abstract

Many distinct amino acid and aromatic amine-derived transition metal complexes are used as physiologically active compounds. A few Cobalt (II) complexes have been synthesized by reacting cobalt (II) chloride with 1, 8-diaminonapthalene-based tetraamide macrocyclic ligands in an ethanolic media. These synthesized ligands (TAML 1-3 ) and associated Co(II) complexes were fully characterized with various spectroscopic techniques, such as IR, NMR, CHN analysis, EPR, molar conductance, and magnetic susceptibility measurements, TGA, UV–visible spectra, powder X-ray diffraction and DFT analysis. The IR spectra reveal interactions between the core metal atom and ligands through N of 1, 8-diaminonapthalene. The distorted octahedral geometry of synthesized Co(II) macrocyclic complexes were confirmed by ESR, UV–Vis and DFT studies. The synthesized ligands (TAML 1 -TAML 3 ) and their Co(II) complexes were tested for antimicrobial activity against A. niger, C. albicans, and F. oxysporum in addition to bacteria like S. aureus, B. subtilis, and Gram-negative bacteria like E. coli. The ligand TAML 1 and complex [Co(TAML 1 )Cl 2 ] showed an excellent antibacterial activity. The minimum inhibitory concentration of TAML 1 and [Co(TAML 1 )Cl 2 ] against S. aureus were found to be 7 mm and 10 mm zone of inhibition at 500 ppm, respectively, compared to drug ampicillin (3 mm). Additionally, each molecule exhibited notable antioxidant activity. The biological significance of the synthesized compounds was then evaluated by molecular docking experiments with the active site of the receptor protein such as Sars-Cov-2 , C. Albicans, X. campestris and E. coli . The molecular docking assisted data strongly correlated to the experimental approach of antimicrobial activity. Graphical Abstract Supplementary Information The online version contains supplementary material available at 10.1007/s11696-023-02843-y.

“Synthesis and characterization of a novel pyridinium iodide-tagged Schiff base and its metal complexes as potential ACHN inhibitors”

“…Schiff bases containing hetero-atoms such as nitrogen, oxygen and Sulphur are of special interest due to their different ways of bonding with transition metal ions. They have been reported to exhibit a variety of biological activities due to the presence of azomethine linkage (C N) [ [23] , [24] , [25] , [26] , [27] , [28] , [29] , [30] , [31] , [38] , [39] , [40] , [41] ]. Transition metal complexes of Schiff bases carrying nitrogen and other donor sites have a variety of applications including biological, medicinal and analytical in addition to their vital role in organic synthesis and catalysis [ [23] , [24] , [25] , [26] , [27] , [28] , [29] , [30] , [31] , [32] ].…”

“…Taking notes, the presence of biologically active azomethine linkage (C N), pyridinium moiety, and metal ions the biological activities of the four synthesized compounds were evaluated [ [38] , [39] , [40] , [41] , [42] , [43] ]. However, we kept ourself confined within the cytotoxicity and reactive oxygen species (ROS) production activities of the synthesized compounds.…”